2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide

C17H20N4O4S — CID 9187060

IUPAC2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide
SMILESCC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C17H20N4O4S/c1-10(2)15(16-20-21-17(25-16)26(3,23)24)19-14(22)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,15,18H,8H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyLOPNIBOMOAWRHH-HNNXBMFYSA-N
MW376.44 g/mol
LogP2.01
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide

2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide (PubChem CID 9187060) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide
PubChem CID9187060
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide
SMILESCC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C17H20N4O4S/c1-10(2)15(16-20-21-17(25-16)26(3,23)24)19-14(22)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,15,18H,8H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyLOPNIBOMOAWRHH-HNNXBMFYSA-N
XLogP2.01
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide (CID 9187060) is 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide is CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide?
The InChIKey is LOPNIBOMOAWRHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-10(2)15(16-20-21-17(25-16)26(3,23)24)19-14(22)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,15,18H,8H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide?
2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 9187060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).